name Intraclash total energy Backbone Hbond Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van de Waals clashes entropy side chain entropy main chain sloop_entropy mloop_entropy cis_bond torsional clash backbone clash helix dipole water bridge disulfide electrostatic Kon partial covalent bonds 1_1T083.PDB 15.69830000 13.63141728 -0.25000000 -8.92500000 -12.26790375 -5.27181768 15.71260212 -14.16310712 35.35365029 4.67332724 0.52315008 0.00000000 0.00000000 0.00000000 0.69501213 0.67820231 -0.00591546 -0.23148579 0.00000000 -2.21109478 0.00000000 2.38400000 530.00000000 2_1T083.PDB 13.66680000 -13.76448553 0.00000000 -4.93750000 -11.88249916 -5.24886762 15.13593262 -13.56531372 3.83017932 4.26436810 0.56066726 0.00000000 0.00000000 0.00000000 0.76179369 0.69365751 -0.04620488 -0.40776982 0.00000000 -2.22927133 0.00000000 2.38400000 530.00000000 3_1T083.PDB 30.57420000 -13.72874007 -0.88750000 -7.90000000 -11.23850616 -6.95259376 16.12706959 -12.25572293 6.34015966 4.53692807 0.84122341 0.00000000 0.00000000 0.00000000 0.79524822 0.22254986 -0.09969424 -0.43860460 0.00000000 -2.59674733 0.00000000 2.38400000 530.00000000 4_1T083.PDB 8.15001000 -13.81186465 0.00000000 -4.60000000 -9.84851896 -3.25359484 12.15411384 -11.18362512 0.16325155 3.04366657 0.56592508 0.00000000 0.00000000 0.00000000 0.61366148 0.64646746 -0.06824208 0.02290653 0.00000000 -1.42140869 0.00000000 2.38400000 530.00000000 5_1T083.PDB 3.62853000 13.21953553 -1.13750000 -10.15000000 -12.05514108 -4.69074052 16.54805699 -13.79454161 34.71310232 4.93306213 0.78197389 0.00000000 0.00000000 0.00000000 0.58223002 0.67796540 -0.05460034 -0.46486320 0.00000000 -1.99150307 0.00000000 2.38400000 530.00000000 6_1T083.PDB 15.47890000 -17.12798471 -0.88750000 -5.52500000 -11.41558593 -4.71340372 13.21095295 -13.80559954 2.48570626 4.87430578 0.71831718 0.00000000 0.00000000 0.00000000 0.56871115 0.57675958 -0.04235498 -0.53054851 0.00000000 -2.06598535 0.00000000 2.38400000 530.00000000 7_1T083.PDB 1.54452000 -15.44053888 0.00000000 -6.33750000 -11.38275912 -5.27115627 13.96332711 -13.43367515 3.14267947 5.22451368 0.55764720 0.00000000 0.00000000 0.00000000 0.75839496 0.69655366 -0.02996210 -0.26836396 0.00000000 -2.36368471 0.00000000 2.38400000 530.00000000 8_1T083.PDB 16.16320000 -15.62614611 -0.88750000 -3.71250000 -11.88890459 -5.16623364 15.06835140 -14.01990085 2.24096718 3.85653753 0.65544446 0.00000000 0.00000000 0.00000000 0.68408036 0.60871510 -0.02226394 -0.13220519 0.00000000 -2.30201882 0.00000000 2.38400000 530.00000000 9_1T083.PDB 13.57030000 -17.54443170 -0.88750000 -7.93750000 -11.24484586 -4.89057782 14.30438508 -13.43119530 2.78686804 5.30604274 0.60989084 0.00000000 0.00000000 0.00000000 0.61529470 0.65785788 -0.04549733 -0.41327268 0.00000000 -2.31652411 0.00000000 2.38400000 530.00000000 10_1T083.PDB 1.40306000 -15.73208325 -0.88750000 -3.37500000 -10.15414989 -3.90169271 11.85920268 -12.43745301 0.08914093 4.66145400 0.52688982 0.00000000 0.00000000 0.00000000 0.63198619 0.60366871 -0.03993180 -0.55226341 0.00000000 -2.15276603 0.00000000 2.38400000 530.00000000 11_1T083.PDB 3.00384000 14.41895102 -0.88750000 -5.48750000 -10.95493649 -3.69703170 13.61555988 -13.23872168 32.98161993 2.41860628 0.68266368 0.00000000 0.00000000 0.00000000 0.46424254 0.60609584 -0.03332703 -0.39836264 0.00000000 -1.04636175 0.00000000 2.38400000 530.00000000 12_1T083.PDB 11.91710000 -21.64406868 -0.88750000 -10.36250000 -11.97695144 -4.26521221 14.34436650 -14.14417903 1.11246024 5.66990419 0.66605020 0.00000000 0.00000000 0.00000000 0.71873800 0.58653629 -0.03830023 -0.49049013 0.00000000 -1.99045477 0.00000000 2.38400000 530.00000000 13_1T083.PDB 14.25910000 13.60800855 -0.25000000 -9.60000000 -12.02854509 -4.82738717 15.91717830 -13.83277869 34.85241580 4.20331988 0.78472175 0.00000000 0.00000000 0.00000000 0.67584363 0.64994588 -0.03580937 -0.32920508 0.00000000 -1.92174542 0.00000000 2.38400000 530.00000000 14_1T083.PDB 11.77290000 -17.08515243 0.00000000 -4.60000000 -11.12916005 -4.30717950 12.59493688 -13.15367008 0.35403037 4.37506301 0.58179800 0.00000000 0.00000000 0.00000000 0.87915386 0.66650665 -0.04721504 -0.36930331 0.00000000 -2.26360658 0.00000000 2.38400000 530.00000000 15_1T083.PDB 11.73780000 -17.80750349 -0.88750000 -5.48750000 -11.72308456 -4.88980742 14.13318312 -13.79167360 1.65359085 4.57935880 0.82057326 0.00000000 0.00000000 0.00000000 0.67419266 0.60486841 -0.05030956 -0.48419633 0.00000000 -2.35433071 0.00000000 2.38400000 530.00000000 16_1T083.PDB 12.75560000 -16.23734528 -0.88750000 -6.55000000 -11.41762653 -3.20544544 14.33669182 -12.96397578 1.89642155 3.03377731 0.65831270 0.00000000 0.00000000 0.00000000 0.73586238 0.61424718 -0.06961661 -0.43427064 0.00000000 -1.36997603 0.00000000 2.38400000 530.00000000 17_1T083.PDB 14.05200000 -16.51501185 -0.88750000 -5.82500000 -11.70110855 -4.64411617 14.73221677 -13.36929997 2.78556526 3.65083028 0.65754977 0.00000000 0.00000000 0.00000000 0.54229231 0.62586483 -0.06333802 -0.42818173 0.00000000 -1.96492181 0.00000000 2.38400000 530.00000000 18_1T083.PDB 3.76713000 -18.17474820 0.00000000 -6.26250000 -10.63108864 -4.41095404 12.38665166 -12.82517707 0.45593282 4.56934729 0.58742803 0.00000000 0.00000000 0.00000000 0.69005573 0.69489847 -0.04411435 -0.52560293 0.00000000 -2.16472668 0.00000000 2.38400000 530.00000000 19_1T083.PDB 12.26420000 -18.46444514 -0.88750000 -5.48750000 -11.38806625 -5.76586741 14.82848247 -13.26954157 0.34419046 4.76881864 0.70660656 0.00000000 0.00000000 0.00000000 0.73549476 0.68188582 -0.03659647 -0.39843027 0.00000000 -2.61453606 0.00000000 2.38400000 530.00000000 20_1T083.PDB 2.79771000 -17.30974547 0.00000000 -5.58750000 -11.81244539 -5.04911654 13.83223279 -14.07349929 1.53575644 4.56193506 1.09300276 0.00000000 0.00000000 0.00000000 0.68611362 0.67874051 -0.05542270 -0.13074352 0.00000000 -2.31005871 0.00000000 2.38400000 530.00000000 21_1T083.PDB 16.93770000 14.89394757 0.00000000 -9.05000000 -11.90776864 -4.71716287 16.46749948 -13.03854580 34.34100715 3.30769781 0.67323272 0.00000000 0.00000000 0.00000000 0.67745035 0.69348762 -0.07060378 -0.10645499 0.00000000 -1.68240384 0.00000000 2.38400000 530.00000000 22_1T083.PDB 2.68707000 -18.24090189 -1.77500000 -5.96250000 -11.46997391 -4.81472127 15.14042916 -13.34577357 0.71420960 4.75000983 0.56920218 0.00000000 0.00000000 0.00000000 0.77012687 0.66461854 -0.06714336 -0.53500674 0.00000000 -2.21476068 0.00000000 2.38400000 530.00000000 23_1T083.PDB 9.01810000 -16.29358741 -0.88750000 -7.22500000 -11.01164188 -3.73522525 13.45518225 -12.69916294 2.14159684 4.91748838 0.54787441 0.00000000 0.00000000 0.00000000 0.89630337 0.69158067 -0.06492573 -0.67655431 0.00000000 -1.95202256 0.00000000 2.38400000 530.00000000 24_1T083.PDB 14.01590000 -14.81817647 -1.77500000 -5.62500000 -10.05486196 -3.90583090 12.96419079 -11.76348559 2.77659799 4.38319423 0.61437913 0.00000000 0.00000000 0.00000000 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